| CAS Number | 2096339-01-2 |
| Catalog Number | AG01FOR1(AGN-PC-3H5O6M) |
| Chemical Name | 3-Nonyl-2-thiopheneboronic acid pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(3-nonylthiophen-2-yl)-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H33BO2S/c1-6-7-8-9-10-11-12-13-16-14-15-23-17(16)20-21-18(2,3)19(4,5)22-20/h14-15H,6-13H2,1-5H3 |
| InChI Key | QVSCDOHSRKNJRW-UHFFFAOYSA-N |
| Molecular Formula | C19H33BO2S |
| Molecular Weight | 336.3401 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CS2)CCCCCCCCC |
| Synonyms | 3-Nonyl-2-thiopheneboronic acid pinacol ester,
4,4,5,5-tetramethyl-2-(3-nonylthiophen-2-yl)-1,3,2-dioxaborolane,
2096339-01-2,
AMTB472,
KS-000022DL,
MFCD20527135,
AKOS025392311,
ZINC169975147,
AS-2536,
C19H33BO2S,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.229g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.341g/mol |
| Monoisotopic Mass | 336.229g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 46.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number